N-(8,8-diethoxyoctoxy)methanamine

C13H29NO3 — CID 143819470

IUPACN-(8,8-diethoxyoctoxy)methanamine
SMILESCCOC(CCCCCCCONC)OCC
InChIInChI=1S/C13H29NO3/c1-4-15-13(16-5-2)11-9-7-6-8-10-12-17-14-3/h13-14H,4-12H2,1-3H3
InChIKeyPBRJBVZAKPFWGS-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.88
Rot. Bonds13

About N-(8,8-diethoxyoctoxy)methanamine

N-(8,8-diethoxyoctoxy)methanamine (PubChem CID 143819470) has the molecular formula C13H29NO3 and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(8,8-diethoxyoctoxy)methanamine.

Molecular Properties

Compound NameN-(8,8-diethoxyoctoxy)methanamine
PubChem CID143819470
Molecular FormulaC13H29NO3
Molecular Weight247.38 g/mol
Exact Mass247.21
IUPAC NameN-(8,8-diethoxyoctoxy)methanamine
SMILESCCOC(CCCCCCCONC)OCC
InChIInChI=1S/C13H29NO3/c1-4-15-13(16-5-2)11-9-7-6-8-10-12-17-14-3/h13-14H,4-12H2,1-3H3
InChIKeyPBRJBVZAKPFWGS-UHFFFAOYSA-N
XLogP2.88
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

16-bromo-1,1-diethoxyhexadecane
CID 88601641
6-methyl-1,1-dioctoxyheptane
CID 171428766
N-(3,3-diethoxypropyl)-7-methyloctan-1-amine
CID 107814867
12,12-diethoxydodec-1-ene
CID 146004846
4-bromo-1,1-diethoxybutane
CID 568500
16,16-diethoxyhexadec-3-ene
CID 91492223
N-(3,3-diethoxypropyl)-4-methylpentan-1-amine
CID 81095223
1,1-dibutoxyoctane
CID 54557001
1-ethoxy-17-methyloctadecane
CID 91042875
1,5-dibutoxy-1-[5-[5-(1,5-dibutoxypentoxy)pentoxy]pentoxy]pentane
CID 175168734
11,11-diethoxy-1-(methoxymethoxy)undec-1-ene
CID 162392533
5,5-diethoxypentyl 2-methylprop-2-enoate
CID 123206494

Frequently Asked Questions

What is the IUPAC name of N-(8,8-diethoxyoctoxy)methanamine?
The IUPAC name of N-(8,8-diethoxyoctoxy)methanamine (CID 143819470) is N-(8,8-diethoxyoctoxy)methanamine.
What is the SMILES notation for N-(8,8-diethoxyoctoxy)methanamine?
The canonical SMILES for N-(8,8-diethoxyoctoxy)methanamine is CCOC(CCCCCCCONC)OCC.
What is the InChIKey of N-(8,8-diethoxyoctoxy)methanamine?
The InChIKey is PBRJBVZAKPFWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3/c1-4-15-13(16-5-2)11-9-7-6-8-10-12-17-14-3/h13-14H,4-12H2,1-3H3.
What are the key properties of N-(8,8-diethoxyoctoxy)methanamine?
N-(8,8-diethoxyoctoxy)methanamine has a molecular weight of 247.38 g/mol, XLogP of 2.88, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8,8-diethoxyoctoxy)methanamine is sourced from PubChem (CID 143819470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).